| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:39 UTC |
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| Update Date | 2025-03-25 00:49:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175382 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO7 |
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| Molecular Mass | 285.0849 |
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| SMILES | O=C(O)CC(N=CC=C1CC(C(=O)O)CC1O)C(=O)O |
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| InChI Key | SAGVFTVGUJWUER-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclopentanolshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstricarboxylic acids and derivatives |
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| Substituents | alcoholcarbonyl groupcarboxylic acidiminetricarboxylic acid or derivativesorganic 1,3-dipolar compoundcyclic alcoholcyclopentanolpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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